Vitas-M small molecule compound
(3aR,5aR,8aS,8bR)-2,2,7,7-tetramethyl-N-{2-[(4-nitrophenyl)amino]-2-oxoethyl}tetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
Catalog ID
STL526211
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CNC(=O)C1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H25N3O9 MW 451.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O9/c1-19(2)29-13-14(30-19)16-18(32-20(3,4)31-16)28-15(13)17(25)21-9-12(24)22-10-5-7-11(8-6-10)23(26)27/h5-8,13-16,18H,9H2,1-4H3,(H,21,25)(H,22,24)/t13-,14+,15?,16-,18-/m1/s1InChIKey
BTMGVGLKRMWEBX-BJLQQYENSA-NSynonyms
1037291-20-5(1~(S)2~(R)6~(R)9~(R))441111tetramethyl~(N)(2(4nitroanilino)2oxoethyl)3571012pentaoxatricyclo(7300^(26))dodecane8carboxamide
(3aR5aR8aS8bR)2277tetramethylN(2((4nitrophenyl)amino)2oxoethyl)tetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
(3aR5aR8aS8bR)2277tetramethylN(2((4nitrophenyl)amino)2oxoethyl)tetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
1037291205
16397192
InChI=1SC20H25N3O9c119(2)291314(3019)1618(3220(34)3116)2815(13)17(25)21912(24)22105711(8610)23(26)27h58131618H9H214H3(H2125)(H2224)t1314+15?1618m1s1
MFCD02925091
O=C(Nc1ccc(cc1)(N+)(=O)(O))CNC(=O)C1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
ZINC000012660114
ZINC000012660116
Check stock
See real-time availability and sample size for STL526211 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.